[1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine

C12H13FN4 — CID 105490807

IUPAC[1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine
SMILESNCc1nnn(C2CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C12H13FN4/c13-9-3-1-8(2-4-9)12-11(7-14)15-16-17(12)10-5-6-10/h1-4,10H,5-7,14H2
InChIKeyXKCYFMNVXAGSHT-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.88
Rot. Bonds3

About [1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine

[1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine (PubChem CID 105490807) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is [1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine
PubChem CID105490807
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name[1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine
SMILESNCc1nnn(C2CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C12H13FN4/c13-9-3-1-8(2-4-9)12-11(7-14)15-16-17(12)10-5-6-10/h1-4,10H,5-7,14H2
InChIKeyXKCYFMNVXAGSHT-UHFFFAOYSA-N
XLogP1.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine?
The IUPAC name of [1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine (CID 105490807) is [1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine is NCc1nnn(C2CC2)c1-c1ccc(F)cc1.
What is the InChIKey of [1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine?
The InChIKey is XKCYFMNVXAGSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c13-9-3-1-8(2-4-9)12-11(7-14)15-16-17(12)10-5-6-10/h1-4,10H,5-7,14H2.
What are the key properties of [1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine?
[1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine has a molecular weight of 232.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 105490807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).